Quimat - Cheminformatics and Materials (Quimat)

Publications Actions
Publications at Authenticus Institutional Profile

An Authenticus institution (group) is an organization which consists of a set of researchers (institutional/group team). The set of researchers depends on the organizational structure of the institution per year and can be set at the institution profile, under ‘Researchers’ interface. Based on the institutional team we produce listings of publications, statistics and institutional reports. 

Publications displayed at an Authenticus institutional profile depend on two parameters:

  • Researchers team associated with the institution per year. 
  • Publications source type. 

We define 3 types of publication sources:

  • Validated by team members - includes all publications validated by team members. Requires the definition of the institutional team. 
  • All published by team members - includes all publications validated by the institution team members plus all not-validated (only identified) publications. Requires the definition of the institutional team. 
  • Affiliation Based - includes publications that have the institution/group in the publication affiliation. Does not require institutional team, but at the same time does not guarantee that all publications will be listed. 
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Update Citation

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Rules:
 This actions updates publications citations of every team member.
 Only validated by team members publications are included.
 Only the current year team is included in this action.>
 The action is executed in the background, thus the results are NOT immediate.
 This actions can be executed only once a month!

Update PrePrints

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Rules:
 This actions updates all pre print publications of the group/institution.
 Only validated by current year team members publications are included.
 The action is executed in the background, thus the results are NOT immediate.
 This actions can be executed only once a day!

Publications Count: 607

15 Team Members
Filters -> Year: 2024
341
TITLE: Surface Chemistry and Atomic-Scale Reconstruction of Kerogen-Silica Composites
AUTHORS: Gyoergy Hantal; Laurent Brochard; Natalia Dias Soeiro S Cordeiro ; Franz J Ulm; Roland J M Pellenq;
PUBLISHED: 2014, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY C, VOLUME: 118, ISSUE: 5, PAGES: 2429-2438
INDEXED IN: Scopus WOS CrossRef: 29
342
TITLE: 3D-QSAR Methodologies and Molecular Modeling in Bioinformatics for the Search of Novel Anti-HIV Therapies: Rational Design of Entry Inhibitors
AUTHORS: Alejandro Speck Planche; Valeria V Kleandrova; Marcus T Scotti; Cordeiro, MNDS ;
PUBLISHED: 2013, SOURCE: CURRENT BIOINFORMATICS, VOLUME: 8, ISSUE: 4, PAGES: 452-464
INDEXED IN: Scopus WOS CrossRef: 12
343
TITLE: A DFT study of the NO dissociation on gold surfaces doped with transition metals  Full Text
AUTHORS: Jose L C Fajin ; Natalia N D S Cordeiro ; Jose R B Gomes ;
PUBLISHED: 2013, SOURCE: JOURNAL OF CHEMICAL PHYSICS, VOLUME: 138, ISSUE: 7, PAGES: 074701
INDEXED IN: Scopus WOS CrossRef: 9
344
TITLE: Aza-Diels-Alder addition of cyclopentadiene to propynyliminoglyoxylates  Full Text
AUTHORS: Filipe Teixeira ; Andre Melo ; Natalia N D S Cordeiro ;
PUBLISHED: 2013, SOURCE: COMPUTATIONAL AND THEORETICAL CHEMISTRY, VOLUME: 1012, PAGES: 54-59
INDEXED IN: Scopus WOS CrossRef: 4
345
TITLE: Calculation of the Intrinsic Solvation Free Energy Profile of an Ionic Penetrant Across a Liquid-Liquid Interface with Computer Simulations
AUTHORS: Maria Darvas; Miguel Jorge; Natalia N D S Cordeiro ; Sofia S Kantorovich; Marcello Sega; Pal Jedlovszky;
PUBLISHED: 2013, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY B, VOLUME: 117, ISSUE: 50, PAGES: 16148-16156
INDEXED IN: Scopus WOS CrossRef: 31
348
TITLE: Chemoinformatics in drug design. Artificial neural networks for simultaneous prediction of anti-enterococci activities and toxicological profiles
AUTHORS: Speck Planche, A; Cordeiro, MNDS ;
PUBLISHED: 2013, SOURCE: 5th International Joint Conference on Computational Intelligence, IJCCI 2013 in IJCCI 2013 - Proceedings of the 5th International Joint Conference on Computational Intelligence, PAGES: 458-465
INDEXED IN: Scopus
350
TITLE: Cholesteryl ester transfer protein inhibitors in coronary heart disease: Validated comparative QSAR modeling of N, N-disubstituted trifluoro-3-amino-2-propanols  Full Text
AUTHORS: Mondal, C; Halder, AK ; Adhikari, N; Jha, T;
PUBLISHED: 2013, SOURCE: Computers in Biology and Medicine, VOLUME: 43, ISSUE: 10, PAGES: 1545-1555
INDEXED IN: Scopus CrossRef: 6
351
TITLE: Combining QSAR classification models for predictive modeling of human monoamine oxidase inhibitors  Full Text
AUTHORS: Aliuska Morales Helguera; Alfonso Perez Garrido; Alexandra Gaspar ; Joana Reis; Fernando Cagide ; Dolores Vina; Natalia N D S Cordeiro ; Fernanda Borges ;
PUBLISHED: 2013, SOURCE: EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, VOLUME: 59, PAGES: 75-90
INDEXED IN: Scopus WOS CrossRef: 41
353
TITLE: Conductometric study of binary systems based on ionic liquids and acetonitrile in a wide concentration range  Full Text
AUTHORS: Oleg N Kalugin; Iuliia V Voroshylova ; Anastasiia V Riabchunova; Elena V Lukinova; Vitaly V Chaban;
PUBLISHED: 2013, SOURCE: Electrochimica Acta, VOLUME: 105, PAGES: 188-199
INDEXED IN: Scopus CrossRef: 73
354
TITLE: Current Tendencies in Antimicrobial Research: Medicinal Chemistry of Antibacterial Agents and Advances in the Use of Computational Methodologies
AUTHORS: Marcus Tullius Scotti; Cordeiro, MNDS ; Alejandro Speck Planche;
PUBLISHED: 2013, SOURCE: CURRENT TOPICS IN MEDICINAL CHEMISTRY, VOLUME: 13, ISSUE: 24, PAGES: 3011-3012
INDEXED IN: Scopus WOS CrossRef
355
TITLE: Density functional treatment of interactions and chemical reactions at interfaces
AUTHORS: Gomes, JRB; Fajin, JLC ; Cordeiro, MNDS ; Teixeira, C ; Paula Gomes ; Pillai, RS; Novell Leruth, G; Toda, J; Jorge, M;
PUBLISHED: 2013, SOURCE: Density Functional Theory: Principles, Applications and Analysis, PAGES: 1-58
INDEXED IN: Scopus
356
TITLE: Desirability-based Multi-criteria Virtual Screening of Selective Antimicrobial Cyclic beta-Hairpin Cationic Peptidomimetics
AUTHORS: Maykel Cruz Monteagudo ; Yansy Romero; Natalia N D S Cordeiro ; Fernanda Borges ;
PUBLISHED: 2013, SOURCE: CURRENT PHARMACEUTICAL DESIGN, VOLUME: 19, ISSUE: 12, PAGES: 2148-2163
INDEXED IN: Scopus WOS CrossRef: 2
357
TITLE: DFT Study of the Adsorption of D(L-)Cysteine on Flat and Chiral Stepped Gold Surfaces  Full Text
AUTHORS: Jose L C Fajin ; Jose R B Gomes ; Natalia N D S Cordeiro ;
PUBLISHED: 2013, SOURCE: LANGMUIR, VOLUME: 29, ISSUE: 28, PAGES: 8856-8864
INDEXED IN: Scopus WOS CrossRef: 49
358
TITLE: DFT study on the reaction of O-2 dissociation catalyzed by gold surfaces doped with transition metal atoms  Full Text
AUTHORS: Jose L C Fajin ; Natalia N D S Cordeiro ; Jose R B Gomes ;
PUBLISHED: 2013, SOURCE: APPLIED CATALYSIS A-GENERAL, VOLUME: 458, PAGES: 90-102
INDEXED IN: Scopus WOS CrossRef: 23
359
TITLE: Electrochemical Oxidation of Tamoxifen Revisited  Full Text
AUTHORS: Garrido, JMPJ ; Quezada, E ; Fajin, JLC ; Cordeiro, MNDS ; Garrido, EMPJ ; Borges, F ;
PUBLISHED: 2013, SOURCE: INTERNATIONAL JOURNAL OF ELECTROCHEMICAL SCIENCE, VOLUME: 8, ISSUE: 4, PAGES: 5710-5723
INDEXED IN: Scopus WOS
360
TITLE: Electrochemical studies of metallic chromium electrodeposition from a Cr(III) bath  Full Text
AUTHORS: Elisabete S C Ferreira ; Pereira, CM ; Silva, AF ;
PUBLISHED: 2013, SOURCE: JOURNAL OF ELECTROANALYTICAL CHEMISTRY, VOLUME: 707, PAGES: 52-58
INDEXED IN: Scopus WOS CrossRef: 62

Results per Page: 20.
Page 18 of 31. Total results: 607.